(4S)-4-thiophen-2-yl-4,4a,5,6-tetrahydro-3H-benzo[h]quinazolin-1-ium-2-thione

Systemtic Name: (4S)-4-thiophen-2-yl-4,4a,5,6-tetrahydro-3H-benzo[h]quinazolin-1-ium-2-thione Openeye Name: (4S)-4-(2-thienyl)-4,4a,5,6-tetrahydro-3H-benzo[h]quinazolin-1-ium-2-thione CAS Name: (4S)-4-thiophen-2-yl-4,4a,5,6-tetrahydro-3H-benzo[h]quinazolin-1-ium-2-thione IUPAC Name: (4S)-4-thiophen-2-yl-4,4a,5,6-tetrahydro-3H-benzo[h]quinazolin-1-ium-2-thione Traditional Name: (4S)-4-(2-thienyl)-4,4a,5,6-tetrahydro-3H-benzo[h]quinazolin-1-ium-2-thione Formula: C16H15N2S2+ MolecularWeight: 299.4337

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C3=[NH+]C(=S)NC(C31)C4=CC=CS4

Isomeric SMILES

C1CC2=CC=CC=C2C3=[NH+]C(=S)N[C@@H](C31)C4=CC=CS4

InChI

InChI=1S/C16H14N2S2/c19-16-17-14-11-5-2-1-4-10(11)7-8-12(14)15(18-16)13-6-3-9-20-13/h1-6,9,12,15H,7-8H2,(H,18,19)/p+1/t12?,15-/m0/s1